CFam Chemical Families Database
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You are searching for "CFAMM00327502" in compound.

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CFAM Mol ID CFAMM00327502
Family CFFBM1797 Prothrombin inhibitor (2S)-N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-[(2R)-2-(benzylsulfonylamino)-3-methylbutanoyl]pyrrolidine-2-carboxamide family
Superfamily CFSBM780 Prothrombin and Trypsin-1 Binder Superfamily 3
Class CFCCD508 Class 1321
External ID CHEMBL383719 External Source CHEMBL
PubChem CID 44408154 Functional Category Bioactive
Molecule Name (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(5,5-dimethyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
IUPAC Name (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(5,5-dimethyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Synonyms CHEBI:439839
InChi InChI=1S/C36H49ClN4O4S/c1-35(2)16-21-41(46(35,44)45)25-36(29-10-4-3-5-11-29)17-19-40(20-18-36)34(43)32(22-26-12-14-30(37)15-13-26)39-33(42)31-23-27-8-6-7-9-28(27)24-38-31/h6-9,12-15,29,31-32,38H,3-5,10-11,16-25H2,1-2H3,(H,39,42)/t31-,32-/m1/s1
Formula C36H49ClN4O4S Molecular Weight 669.32
Cross Link CHEMBL383719

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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National University of Singapore, Singapore

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